Science at ALCF

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Advanced Electronic Structure Methods for Heterogeneous Catalysis and Separation of Heavy Metals
Mark Gordon, Iowa State University
Theta Theta ESP
Chemistry
Weak ignition behind a reflected shock in 2H2+O2 mixture Direct Numerical Simulations of Flame Propagation in Hydrogen-Oxygen Mixtures in Closed Vessels
Alexei Khokhlov, University of Chicago
Theta Theta ESP
Chemistry
Electronic Structure Based Discovery of Hybrid Photovoltaic Materials on Next-Generation HPC Platforms
Volker Blum, Duke University
Theta Theta ESP
Materials Science
Isosurface of instantaneous Q criterion colored by speed over a vertical tail Extreme Scale Unstructured Adaptive CFD: From Multiphase Flow to Aerodynamic Flow Control
Kenneth Jansen, University of Colorado Boulder
Theta Theta ESP
Engineering
High-performance calculations of nanoparticles and aqueous systems for energy applications First-Principles Simulations of Functional Materials for Energy Conversion
Giulia Galli (Co-PIs: Francois Gygi, University of California, Davis, and Marco Govoni, Argonne National Laboratory), Argonne National Laboratory/University of Chicago
Theta Theta ESP
Materials Science
Flow, Mixing and Combustion of Transient Turbulent Gaseous Jets in Confined Cylindrical Geometries
Christos Frouzakis, Swiss Federal Institute of Technology Zurich (ETHZ)
Theta Theta ESP
Engineering
Free Energy Landscapes of Membrane Transport Proteins
Benoit Roux, Argonne National Laboratory/University of Chicago
Theta Theta ESP
Biological Sciences
Digital reconstruction of pyramidal cells Large-Scale Simulation of Brain Tissue: Blue Brain Project, EPFL
Fabien Delalondre, Ecole Federale Polytechnique de Lausanne
Theta Theta ESP
Biological Sciences
Simulated cluster strong lensing image based on a large halo extracted from the Outer Rim simulation Next-Generation Cosmology Simulations with HACC: Challenges from Baryons
Katrin Heitmann, Argonne National Laboratory
Theta Theta ESP
Physics
Blue Gene/Q scaling Quantum Monte Carlo Calculations in Nuclear Theory
Steven Pieper, Argonne National Laboratory
Theta Theta ESP
Physics
Separated turbulent flow over a S809 airfoil Scale-Resolving Simulations of Wind Turbines with SU2
Juan J. Alonso, Stanford University
Theta Theta ESP
Engineering
The Hadronic Contribution to the Anomalous Magnetic Moment of the Muon
Paul Mackenzie, Fermilab
Theta Theta ESP
Physics